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Phenylpropanoic acids
Description:
Compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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3-(4-(Trifluoromethoxy)phenyl)propanoic acidCas Number: 886499-74-7 Compound CID: 10513835Formula: C10H9F3O3 Molecular Weight: 234.17IUPAC Name: 3-[4-(trifluoromethoxy)phenyl]propanoic acidSMILES: C1=CC(=CC=C1CCC(=O)O)OC(F)(F)FInChIKey: RRPISZJLUXOOCL-UHFFFAOYSA-NInChI: InChI=1S/C10H9F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15) -
3-(4-(N-Methylsulfamoyl)phenyl)propanoic acidCas Number: 842975-38-6 Compound CID: 3161909Formula: C10H13NO4S Molecular Weight: 243.28IUPAC Name: 3-[4-(methylsulfamoyl)phenyl]propanoic acidSMILES: CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)OInChIKey: RWDZHAQPBLATJP-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO4S/c1-11-16(14,15)9-5-2-8(3-6-9)4-7-10(12)13/h2-3,5-6,11H,4,7H2,1H3,(H,12,13)
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3-(4-Benzyloxyphenyl)pentanedioic acidCas Number: 165119-29-9 Compound CID: 27281582Formula: C18H18O5 Molecular Weight: 314.3IUPAC Name: 3-(4-phenylmethoxyphenyl)pentanedioic acidSMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CC(=O)O)CC(=O)OInChIKey: GAAFBVUBUNMNOG-UHFFFAOYSA-NInChI: InChI=1S/C18H18O5/c19-17(20)10-15(11-18(21)22)14-6-8-16(9-7-14)23-12-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,19,20)(H,21,22)
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3-(3-fluoro-4-methoxyphenyl)propanoic acidCas Number: 69888-90-0 Compound CID: 3017966Formula: C10H11FO3 Molecular Weight: 198.19IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)propanoic acidSMILES: COC1=C(C=C(C=C1)CCC(=O)O)FInChIKey: KBFWVRMLCVYIRL-UHFFFAOYSA-NInChI: InChI=1S/C10H11FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
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3-(4-Bromophenyl)pentanedioicacidCas Number: 1141-24-8 Compound CID: 10684683IUPAC Name: 3-(4-bromophenyl)pentanedioic acidSMILES: C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)BrInChIKey: ZSYRDSTUBZGDKI-UHFFFAOYSA-NInChI: InChI=1S/C11H11BrO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
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3-(4-Formylphenyl)propionic acidIUPAC Name: 3-(4-formylphenyl)propanoic acidSMILES: C1=CC(=CC=C1CCC(=O)O)C=OInChIKey: NRCCSDVEUWXOMG-UHFFFAOYSA-NInChI: InChI=1S/C10H10O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4,7H,5-6H2,(H,12,13)
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3-(4-Fluoro-3-methylphenyl)propionic acidCas Number: 881189-64-6 Compound CID: 46737560Formula: C10H11FO2 Molecular Weight: 182.19IUPAC Name: 3-(4-fluoro-3-methylphenyl)propanoic acidSMILES: CC1=C(C=CC(=C1)CCC(=O)O)FInChIKey: CYLOSAIKMFNNEO-UHFFFAOYSA-NInChI: InChI=1S/C10H11FO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
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3-(4-Fluorophenyl)-2-methylpropanoic acidIUPAC Name: 3-(4-fluorophenyl)-2-methylpropanoic acidSMILES: CC(CC1=CC=C(C=C1)F)C(=O)OInChIKey: KPWBMCKJLTZFFT-UHFFFAOYSA-NInChI: InChI=1S/C10H11FO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13)
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3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acidCas Number: 284493-54-5 Compound CID: 2764408Formula: C15H21NO4 Molecular Weight: 279.34IUPAC Name: 3-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC1=CC=CC=C1C(CC(=O)O)NC(=O)OC(C)(C)CInChIKey: WWDMSBGBNGEQDH-UHFFFAOYSA-NInChI: InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
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3-((tert-butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acidCas Number: 284493-66-9Formula: C14H18ClNO4 Molecular Weight: 299.76IUPAC Name: 3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1ClInChIKey: JBKHFGREKMCWAU-UHFFFAOYSA-NInChI: InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
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2-(4-butylphenyl)propanoic acidCas Number: 3585-49-7 Compound CID: 12046192Formula: C13H18O2 Molecular Weight: 206.28IUPAC Name: 2-(4-butylphenyl)propanoic acidSMILES: CCCCC1=CC=C(C=C1)C(C)C(=O)OInChIKey: FEFPDZIYEWFQFK-UHFFFAOYSA-NInChI: InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H,14,15)
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2-(4-(trifluoromethyl)benzyl)propanoic acidCas Number: 1192772-71-6 Compound CID: 53275959Formula: C11H11F3O2 Molecular Weight: 232.2IUPAC Name: 2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acidSMILES: CC(CC1=CC=C(C=C1)C(F)(F)F)C(=O)OInChIKey: KOPLOHWBAJQCOI-UHFFFAOYSA-NInChI: InChI=1S/C11H11F3O2/c1-7(10(15)16)6-8-2-4-9(5-3-8)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)
